CID 175033

72320-60-6

Structural Information

Molecular Formula
C21H23N3
SMILES
CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3/c1-2-23-12-14-24(15-13-23)21-16-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)22-21/h3-11,16H,2,12-15H2,1H3
InChIKey
PHOZLMDTTWWBAH-UHFFFAOYSA-N
Compound name
2-(4-ethylpiperazin-1-yl)-4-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

317.1892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19648 180.0
[M+Na]+ 340.17842 185.8
[M-H]- 316.18192 185.0
[M+NH4]+ 335.22302 190.3
[M+K]+ 356.15236 178.4
[M+H-H2O]+ 300.18646 167.3
[M+HCOO]- 362.18740 194.2
[M+CH3COO]- 376.20305 188.4
[M+Na-2H]- 338.16387 184.2
[M]+ 317.18865 175.3
[M]- 317.18975 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe